RbSr2O6
Alexandria ALEXAlex-ID: agm013773641 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_330_spg2
SrO RbO4
2024-10-01 14:35:50.915792
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013773641).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm013773641
data_agm013773641
_cell_length_a 3.71703
_cell_length_b 6.68303
_cell_length_c 7.22190
_cell_angle_alpha 117.34926
_cell_angle_beta 87.78590
_cell_angle_gamma 96.72167
_cell_volume 158.22806
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Sr1 Sr 0.46054 0.31978 0.61560 1.00000
Sr2 Sr 0.53946 0.68022 0.38440 1.00000
O1 O 0.91517 0.05677 0.60452 1.00000
O2 O 0.98052 0.40550 0.38919 1.00000
O3 O 0.48978 0.60490 0.00404 1.00000
O4 O 0.01948 0.59450 0.61081 1.00000
O5 O 0.51022 0.39510 0.99596 1.00000
O6 O 0.08483 0.94323 0.39548 1.00000
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